pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.82999992370605	QSARToolbox	-1	-2	Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@](=O)([O-])OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@](=O)(O)OP(=O)([O-])O)[C@@H](O)[C@H]1O	Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](CO[P@](=O)([O-])O[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1[O-],Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@](=O)(O)OP(=O)([O-])[O-])[C@@H](O)[C@H]1O,Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](CO[P@](=O)([O-])O[P@](=O)(O)OP(=O)([O-])O)[C@@H](O)[C@H]1O,Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@](=O)([O-])OP(=O)([O-])O)[C@@H](O)[C@H]1O	mol35717	Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O